1-[3-(2-fluoro-2-methylpropyl)imidazol-4-yl]ethanone

C9H13FN2O — CID 84659610

IUPAC1-[3-(2-fluoro-2-methylpropyl)imidazol-4-yl]ethanone
SMILESCC(=O)c1cncn1CC(C)(C)F
InChIInChI=1S/C9H13FN2O/c1-7(13)8-4-11-6-12(8)5-9(2,3)10/h4,6H,5H2,1-3H3
InChIKeyJWRYVCJEMXNQSY-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.83
Rot. Bonds3

About 1-[3-(2-fluoro-2-methylpropyl)imidazol-4-yl]ethanone

1-[3-(2-fluoro-2-methylpropyl)imidazol-4-yl]ethanone (PubChem CID 84659610) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 1-[3-(2-fluoro-2-methylpropyl)imidazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2-fluoro-2-methylpropyl)imidazol-4-yl]ethanone
PubChem CID84659610
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name1-[3-(2-fluoro-2-methylpropyl)imidazol-4-yl]ethanone
SMILESCC(=O)c1cncn1CC(C)(C)F
InChIInChI=1S/C9H13FN2O/c1-7(13)8-4-11-6-12(8)5-9(2,3)10/h4,6H,5H2,1-3H3
InChIKeyJWRYVCJEMXNQSY-UHFFFAOYSA-N
XLogP1.83
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2,2-trifluoroethyl)imidazole-4-carboxamide
CID 175885239
ethyl 3-(3-amino-2,2-difluoropropyl)imidazole-4-carboxylate
CID 114384618
2-[3-(2,2-difluoropropyl)imidazol-4-yl]acetic acid
CID 84672043
1-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]ethanone
CID 84659607
5-[(E)-but-2-en-2-yl]-1-ethylimidazole
CID 144852857
3-(5-tert-butylimidazol-1-yl)-2,2-difluoropropan-1-amine
CID 114384603
3-propylimidazole-4-carboxylic acid
CID 45082087
1-(3-propylimidazol-4-yl)pentane-1,4-dione
CID 66131342
tert-butyl N-[[3-(2,2,2-trifluoroethyl)imidazol-4-yl]methyl]carbamate
CID 114703197
2-(3-ethylimidazol-4-yl)propan-2-ol
CID 89334361
2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]propan-2-amine
CID 106291716
(E)-2-(3-ethylimidazol-4-yl)pent-2-enoic acid
CID 134433906

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluoro-2-methylpropyl)imidazol-4-yl]ethanone?
The IUPAC name of 1-[3-(2-fluoro-2-methylpropyl)imidazol-4-yl]ethanone (CID 84659610) is 1-[3-(2-fluoro-2-methylpropyl)imidazol-4-yl]ethanone.
What is the SMILES notation for 1-[3-(2-fluoro-2-methylpropyl)imidazol-4-yl]ethanone?
The canonical SMILES for 1-[3-(2-fluoro-2-methylpropyl)imidazol-4-yl]ethanone is CC(=O)c1cncn1CC(C)(C)F.
What is the InChIKey of 1-[3-(2-fluoro-2-methylpropyl)imidazol-4-yl]ethanone?
The InChIKey is JWRYVCJEMXNQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-7(13)8-4-11-6-12(8)5-9(2,3)10/h4,6H,5H2,1-3H3.
What are the key properties of 1-[3-(2-fluoro-2-methylpropyl)imidazol-4-yl]ethanone?
1-[3-(2-fluoro-2-methylpropyl)imidazol-4-yl]ethanone has a molecular weight of 184.21 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluoro-2-methylpropyl)imidazol-4-yl]ethanone is sourced from PubChem (CID 84659610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).